2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-8-propoxy-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-8-propoxy-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-(benzylamino)-9-isopropyl-8-propoxy-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-8-propoxy-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(benzylamino)-9-propan-2-yl-8-propoxypurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-8-propoxy-purin-2-yl]amino]butan-1-ol Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(N1C(C)C)N=C(N=C2NCC3=CC=CC=C3)NC(CC)CO

Isomeric SMILES

CCCOC1=NC2=C(N1C(C)C)N=C(N=C2NCC3=CC=CC=C3)NC(CC)CO

InChI

InChI=1S/C22H32N6O2/c1-5-12-30-22-25-18-19(23-13-16-10-8-7-9-11-16)26-21(24-17(6-2)14-29)27-20(18)28(22)15(3)4/h7-11,15,17,29H,5-6,12-14H2,1-4H3,(H2,23,24,26,27)